| Properties | Image |
|---|
| MNX_ID | MNXM744750 |
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| reference | biggM:hisprolys |
| formula | C17H29N6O4 |
| global charge | 1 |
| mol weight | 381.457 |
| InChIKey | PGXZHYYGOPKYKM-MGPQQGTHSA-O |
| InChI | InChI=1S/C17H28N6O4/c18-6-2-1-4-13(17(26)27)22-15(24)14-5-3-7-23(14)16(25)12(19)8-11-9-20-10-21-11/h9-10,12-14H,1-8,18-19H2,(H,20,21)(H,22,24)(H,26,27)/p+1/t12-,13-,14-/m1/s1 |
| SMILES | N[C@H](CC1=CNC=N1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCC[NH3+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H28N6O4/c18-6-2-1-4-13(17(26)27)22-15(24)14-5-3-7-23(14)16(25)12(19)8-11-9-20-10-21-11/h9-10,12-14H,1-8,18-19H2,(H,20,21)(H,22,24)(H,26,27)/t12-,13-,14-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:6][NH2:18])[CH2:4][C@H:13]([C:17](=[O:26])[OH:27])[N:22]=[C:15]([C@H:14]1[CH2:5][CH2:3][CH2:7][N:23]1[C:16]([C@@H:12]([CH2:8][C:11]1=[CH:9][N:20]=[CH:10][NH:21]1)[NH2:19])=[O:25])[OH:24] |
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